3-Hexen-1-ol, 1-formate, (3E)- (CAS 56922-80-6) — Green Top Note Fragrance Ingredient
3-_Hexen-_1-_ol, 1-_formate, (3E)_-
CAS 56922-80-6
What Is 3-_Hexen-_1-_ol, 1-_formate, (3E)_-?
3-Hexen-1-ol, 1-formate is a synthetic fragrance ingredient that mimics fresh-cut grass and green leaves. It’s commonly used in air fresheners, cleaning products, and perfumes to create a natural outdoor ambiance. This molecule matters because it provides an affordable, consistent alternative to expensive natural extracts, allowing products to smell freshly mowed without using actual plant materials.
Safety Profile
GENERALLY SAFEWhat Does 3-_Hexen-_1-_ol, 1-_formate, (3E)_- Smell Like?
A burst of freshly crushed galbanum leaves with the juicy sweetness of dewy lawn clippings at dawn. Opens with piercing green sharpness like snapping pea pods, softening into a vegetal heart reminiscent of cucumber skins and aloe vera. The dry-down reveals faint earthy undertones – the memory of grass stains on summer jeans.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to recreate the petrichor effect of monsoon rains on tropical vegetation, blending with calone and ginger to form an aqueous green accord.
2D Molecular Structure
SMILES: CC\C=C\CCOC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
An ester derivative of leaf alcohol (3-hexen-1-ol). Synthesized via esterification of cis-3-hexenol with formic acid. The cis-3-hexenyl formate isomer is more valuable organoleptically, with greater freshness and natural character compared to trans configurations. Industrial production typically uses acid-catalyzed reactions under controlled conditions.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 0.92 g/cm³ |
| Refractive Index | 1.428 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fabric Care | 0.01-0.1% | Up to 0.5% | Provides linen freshness |
| Fine Fragrance | 0.1-1% | Up to 3% | Green top note modifier |
Classic Accords
Tip: Stabilize in ethanol-based systems to prevent ester hydrolysis over time.
Alternatives & Comparisons
When a fruitier green note is desired – adds a pear-like nuance while maintaining similar freshness profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards.
RIFM Assessment
RIFM assessment completed – no significant safety concerns at reported use levels.
Sustainability
Synthetic production avoids agricultural land use and seasonal variability. The petrochemical feedstock raises carbon footprint concerns, but new bio-based routes using fermentation-derived alcohols are under development. Biodegradability studies show rapid environmental breakdown.
Explore 3-_Hexen-_1-_ol, 1-_formate, (3E)_-
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References
- Fenaroli’s Handbook of Flavor Ingredients (6th ed.). CRC Press. ISBN 9781439867252
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 56922-80-6Physical Properties
| Molecular Weight | 128.17 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.9🔬 PubChem |
| Boiling Point | 152 °C🔬 EPA CompTox |
| Vapor Pressure | 2.8184 mmHg @ 25°C📊 OPERA |
| Flash Point | 50.2 °C🔬 EPA CompTox |
| Involatility Index | 0.2683💻 Calculated |
| log Kp (skin permeability) | -2.133💻 Calculated |
| SMILES | CCC=CCCOC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applefruitygreensharp• leffingwell |
| Functional Groups | etheralkene💻 RDKit |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID701014970
Physical Properties
| Molecular Weight | 128.171 g/mol🔬 EPA CompTox |
| Density | 0.91 g/cm^3📊 OPERA |
| Boiling Point | 160.987 °C📊 OPERA |
| Melting Point | -55.694 °C📊 OPERA |
| Flash Point | 54.967 °C📊 OPERA |
| Refractive Index | 1.429 Dimensionless📊 OPERA |
| Molar Volume | 141.378 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.994 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.994 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.994 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.79 Log10 unitless📊 OPERA |
| Water Solubility | 0.013 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 5.208 mmHg📊 OPERA |
| Viscosity | 1.01 cP📊 OPERA |
| Surface Tension | 27.367 dyn/cm📊 OPERA |
| Thermal Conductivity | 144.35 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 36.469 cm^3/mol📊 OPERA |
| Polarizability | 14.457 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
